This part of IEC 62829, which is a Technical Report, covers<\/p>\n
a study into the pre-requisites of chemometric (exploratory) data analysis,<\/p>\n<\/li>\n
an overview of common data analysis procedures for univariate, bivariate and multivariate data analysis,<\/p>\n<\/li>\n
explanations of the basic principles and major application areas of the different methods),<\/p>\n<\/li>\n
some recommendations on the selection of an appropriate data analysis strategy.<\/p>\n<\/li>\n<\/ul>\n
These recommendations not covered earlier by other guidance documents on the topic are complemented by some advice on the validation of commercial (at the site of installation) and tailored software for process analytical purposes. Recommendations are given on available reference data sets (Annex B) for benchmarking of software implementing the data analysis methods covered (if available). An application example is given.<\/p>\n
| PDF Pages<\/th>\n | PDF Title<\/th>\n<\/tr>\n | ||||||
|---|---|---|---|---|---|---|---|
| 2<\/td>\n | undefined <\/td>\n<\/tr>\n | ||||||
| 4<\/td>\n | CONTENTS <\/td>\n<\/tr>\n | ||||||
| 6<\/td>\n | FOREWORD <\/td>\n<\/tr>\n | ||||||
| 8<\/td>\n | INTRODUCTION <\/td>\n<\/tr>\n | ||||||
| 10<\/td>\n | 1 Scope 2 Normative references 3 Terms and definitions 4 Fields of application 4.1 Process control and process analytical technologies (PAT) <\/td>\n<\/tr>\n | ||||||
| 11<\/td>\n | 4.2 Physical and chemical properties <\/td>\n<\/tr>\n | ||||||
| 12<\/td>\n | 4.3 PAT fields of application 4.3.1 Definition of chemometrics 4.3.2 Overview on PAT fields of applications 4.3.3 Chemometrics for sensors Figures Figure 1 \u2013 Different levels of chemometric applications <\/td>\n<\/tr>\n | ||||||
| 13<\/td>\n | 4.3.4 Chemometrics for production units 4.3.5 Chemometrics along a production chain <\/td>\n<\/tr>\n | ||||||
| 14<\/td>\n | 5 Pre-requisites of chemometric data analysis 5.1 Data has to be adequate and reliable 5.2 Data representativeness <\/td>\n<\/tr>\n | ||||||
| 15<\/td>\n | 5.3 Data acquisition 5.4 Data management 5.5 Databases versus spreadsheets <\/td>\n<\/tr>\n | ||||||
| 16<\/td>\n | 5.6 Data quality 5.7 Data validation 5.8 Data corruption 5.9 Data security and fraudulent data detection <\/td>\n<\/tr>\n | ||||||
| 17<\/td>\n | 5.10 Data management for data mining 6 Pre-requisites of chemometric data analysis 6.1 Technical requirements of chemometric data analysis 6.2 Data dimensionality <\/td>\n<\/tr>\n | ||||||
| 18<\/td>\n | 6.3 Method classification <\/td>\n<\/tr>\n | ||||||
| 19<\/td>\n | 6.4 Data pre-processing 6.4.1 Filtering 6.4.2 Smoothing 6.4.3 Data reduction Tables Table 1 \u2013 Data analysis techniques and data formats <\/td>\n<\/tr>\n | ||||||
| 21<\/td>\n | Figure 2 \u2013 Influence of pre-processing techniques for classificationof the geographical origin of wine <\/td>\n<\/tr>\n | ||||||
| 22<\/td>\n | 7 Methods of chemometric data analysis 7.1 Univariate analysis 7.1.1 Descriptive statistics <\/td>\n<\/tr>\n | ||||||
| 23<\/td>\n | 7.1.2 Hypothesis testing <\/td>\n<\/tr>\n | ||||||
| 25<\/td>\n | 7.1.3 Analysis of variance (ANOVA) <\/td>\n<\/tr>\n | ||||||
| 27<\/td>\n | 7.1.4 General linear models 7.2 Bivariate analysis 7.2.1 Regression analysis <\/td>\n<\/tr>\n | ||||||
| 30<\/td>\n | 7.2.2 Time series analysis <\/td>\n<\/tr>\n | ||||||
| 33<\/td>\n | Annex A (informative)Advice on software validation for processanalytical applications A.1 General A.2 Basic recommendations <\/td>\n<\/tr>\n | ||||||
| 34<\/td>\n | Table A.1 \u2013 Categories of software Table A.2 \u2013 Software validation levels <\/td>\n<\/tr>\n | ||||||
| 35<\/td>\n | A.3 Software validation Figure A.1 \u2013 Different paths for the introductionof new software in a laboratory <\/td>\n<\/tr>\n | ||||||
| 37<\/td>\n | Annex B (informative)Reference data sets available for software benchmarking <\/td>\n<\/tr>\n | ||||||
| 38<\/td>\n | Bibliography <\/td>\n<\/tr>\n<\/table>\n","protected":false},"excerpt":{"rendered":" Chemometrics for process analytical technologies – General provisions, and methods for univariate statistics and chemometric processing of data<\/b><\/p>\n |